N-[2-(1-methylpyrazol-4-yl)oxypentyl]cyclopropanamine

C12H21N3O — CID 116793651

IUPACN-[2-(1-methylpyrazol-4-yl)oxypentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Oc1cnn(C)c1
InChIInChI=1S/C12H21N3O/c1-3-4-11(7-13-10-5-6-10)16-12-8-14-15(2)9-12/h8-11,13H,3-7H2,1-2H3
InChIKeyDLXHSVMOOUULCX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.72
Rot. Bonds7

About N-[2-(1-methylpyrazol-4-yl)oxypentyl]cyclopropanamine

N-[2-(1-methylpyrazol-4-yl)oxypentyl]cyclopropanamine (PubChem CID 116793651) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)oxypentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)oxypentyl]cyclopropanamine
PubChem CID116793651
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[2-(1-methylpyrazol-4-yl)oxypentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Oc1cnn(C)c1
InChIInChI=1S/C12H21N3O/c1-3-4-11(7-13-10-5-6-10)16-12-8-14-15(2)9-12/h8-11,13H,3-7H2,1-2H3
InChIKeyDLXHSVMOOUULCX-UHFFFAOYSA-N
XLogP1.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)oxypentyl]cyclopropanamine?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)oxypentyl]cyclopropanamine (CID 116793651) is N-[2-(1-methylpyrazol-4-yl)oxypentyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)oxypentyl]cyclopropanamine?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)oxypentyl]cyclopropanamine is CCCC(CNC1CC1)Oc1cnn(C)c1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)oxypentyl]cyclopropanamine?
The InChIKey is DLXHSVMOOUULCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-4-11(7-13-10-5-6-10)16-12-8-14-15(2)9-12/h8-11,13H,3-7H2,1-2H3.
What are the key properties of N-[2-(1-methylpyrazol-4-yl)oxypentyl]cyclopropanamine?
N-[2-(1-methylpyrazol-4-yl)oxypentyl]cyclopropanamine has a molecular weight of 223.32 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)oxypentyl]cyclopropanamine is sourced from PubChem (CID 116793651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).